[(3S)-1-[(3-chloranyl-2-methyl-phenyl)carbamoyl]piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-[(3-chloranyl-2-methyl-phenyl)carbamoyl]piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-[(3-chloro-2-methyl-phenyl)carbamoyl]-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: [(3S)-1-[(3-chloro-2-methylanilino)-oxomethyl]-3-piperidinyl]-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-[(3-chloro-2-methyl-phenyl)carbamoyl]-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C21H28ClN4O+ MolecularWeight: 387.92622

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)NC3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C21H27ClN4O/c1-3-25(14-17-9-11-23-12-10-17)18-6-5-13-26(15-18)21(27)24-20-8-4-7-19(22)16(20)2/h4,7-12,18H,3,5-6,13-15H2,1-2H3,(H,24,27)/p+1/t18-/m0/s1