[(3S)-1-[(4-methoxycarbonylphenyl)carbamoyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3S)-1-[(4-methoxycarbonylphenyl)carbamoyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3S)-1-[(4-methoxycarbonylphenyl)carbamoyl]-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3S)-1-[(4-methoxycarbonylanilino)-oxomethyl]-3-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3S)-1-[(4-methoxycarbonylphenyl)carbamoyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3S)-1-[(4-carbomethoxyphenyl)carbamoyl]-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CCCN(C2)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@H]2CCCN(C2)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H28N4O3/c1-25(15-12-18-6-3-4-13-23-18)20-7-5-14-26(16-20)22(28)24-19-10-8-17(9-11-19)21(27)29-2/h3-4,6,8-11,13,20H,5,7,12,14-16H2,1-2H3,(H,24,28)/p+1/t20-/m0/s1