(2S)-1-[2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[2-(3-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[2-[3-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[2-keto-2-(3-methyl-4-pyrrolidino-anilino)ethyl]piperidin-1-ium-2-carboxamide Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCCCC2C(=O)N)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCCC[C@H]2C(=O)N)N3CCCC3

InChI

InChI=1S/C19H28N4O2/c1-14-12-15(7-8-16(14)22-9-4-5-10-22)21-18(24)13-23-11-3-2-6-17(23)19(20)25/h7-8,12,17H,2-6,9-11,13H2,1H3,(H2,20,25)(H,21,24)/p+1/t17-/m0/s1