(2S)-1-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[2-[4-(1-azepanyl)anilino]-2-oxoethyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[2-[4-(azepan-1-yl)anilino]-2-oxoethyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[2-[4-(azepan-1-yl)anilino]-2-keto-ethyl]piperidin-1-ium-2-carboxamide Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCCC3C(=O)N

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCC[C@H]3C(=O)N

InChI

InChI=1S/C20H30N4O2/c21-20(26)18-7-3-6-14-24(18)15-19(25)22-16-8-10-17(11-9-16)23-12-4-1-2-5-13-23/h8-11,18H,1-7,12-15H2,(H2,21,26)(H,22,25)/p+1/t18-/m0/s1