[(3S)-1-[(4-ethanoylphenyl)carbamoyl]piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-[(4-ethanoylphenyl)carbamoyl]piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-[(4-acetylphenyl)carbamoyl]-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: [(3S)-1-[(4-acetylanilino)-oxomethyl]-3-piperidinyl]-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-[(4-acetylphenyl)carbamoyl]piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-[(4-acetylphenyl)carbamoyl]-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2/c1-3-25(15-18-10-12-23-13-11-18)21-5-4-14-26(16-21)22(28)24-20-8-6-19(7-9-20)17(2)27/h6-13,21H,3-5,14-16H2,1-2H3,(H,24,28)/p+1/t21-/m0/s1