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

Systemtic Name: 1-[2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-piperidin-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(4-chloro-2-methyl-anilino)-2-oxo-ethyl]-4-(1-piperidyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-(1-piperidinyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(4-chloro-2-methyl-anilino)-2-keto-ethyl]-4-piperidino-piperidin-1-ium-4-carboxamide Formula: C20H30ClN4O2+ MolecularWeight: 393.9308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)C[NH+]2CCC(CC2)(C(=O)N)N3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)C[NH+]2CCC(CC2)(C(=O)N)N3CCCCC3

InChI

InChI=1S/C20H29ClN4O2/c1-15-13-16(21)5-6-17(15)23-18(26)14-24-11-7-20(8-12-24,19(22)27)25-9-3-2-4-10-25/h5-6,13H,2-4,7-12,14H2,1H3,(H2,22,27)(H,23,26)/p+1