(3R)-1-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(4-butylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-(4-butylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-(4-butylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-(4-butylanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C[NH+]2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C18H27N3O2/c1-2-3-5-14-7-9-16(10-8-14)20-17(22)13-21-11-4-6-15(12-21)18(19)23/h7-10,15H,2-6,11-13H2,1H3,(H2,19,23)(H,20,22)/p+1/t15-/m1/s1