N-tert-butyl-1-(3-methylbutyl)-4-oxidanylidene-5-[4-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]piperidin-1-yl]carbonyl-pyridine-3-carboxamide

Systemtic Name: N-tert-butyl-1-(3-methylbutyl)-4-oxidanylidene-5-[4-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]piperidin-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: N-tert-butyl-1-isopentyl-4-oxo-5-[4-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]piperidine-1-carbonyl]pyridine-3-carboxamide CAS Name: N-tert-butyl-1-(3-methylbutyl)-4-oxo-5-[oxo-[4-[(1S)-1-(1-pyrrolidin-1-iumyl)ethyl]-1-piperidinyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-tert-butyl-1-(3-methylbutyl)-4-oxo-5-[4-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]piperidine-1-carbonyl]pyridine-3-carboxamide Traditional Name: N-tert-butyl-1-isoamyl-4-keto-5-[4-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]piperidine-1-carbonyl]nicotinamide Formula: C27H45N4O3+ MolecularWeight: 473.6712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)N2CCC(CC2)C(C)[NH+]3CCCC3)C(=O)NC(C)(C)C

Isomeric SMILES

C[C@@H](C1CCN(CC1)C(=O)C2=CN(C=C(C2=O)C(=O)NC(C)(C)C)CCC(C)C)[NH+]3CCCC3

InChI

InChI=1S/C27H44N4O3/c1-19(2)9-14-29-17-22(25(33)28-27(4,5)6)24(32)23(18-29)26(34)31-15-10-21(11-16-31)20(3)30-12-7-8-13-30/h17-21H,7-16H2,1-6H3,(H,28,33)/p+1/t20-/m0/s1