(3S)-N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine-3-carboxamide CAS Name: (3S)-N-methyl-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]nipecotamide Formula: C20H34N5O3+ MolecularWeight: 392.51566

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=C1)CN(C)C(=O)C2CCC(=O)N(C2)CC[NH+]3CCOCC3

Isomeric SMILES

CCCC1=NNC(=C1)CN(C)C(=O)[C@H]2CCC(=O)N(C2)CC[NH+]3CCOCC3

InChI

InChI=1S/C20H33N5O3/c1-3-4-17-13-18(22-21-17)15-23(2)20(27)16-5-6-19(26)25(14-16)8-7-24-9-11-28-12-10-24/h13,16H,3-12,14-15H2,1-2H3,(H,21,22)/p+1/t16-/m0/s1