[(3S)-1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-[(2,4-dimethoxyphenyl)carbamoyl]-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: [(3S)-1-[(2,4-dimethoxyanilino)-oxomethyl]-3-piperidinyl]-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-[(2,4-dimethoxyphenyl)carbamoyl]-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C22H31N4O3+ MolecularWeight: 399.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3/c1-4-25(15-17-9-11-23-12-10-17)18-6-5-13-26(16-18)22(27)24-20-8-7-19(28-2)14-21(20)29-3/h7-12,14,18H,4-6,13,15-16H2,1-3H3,(H,24,27)/p+1/t18-/m0/s1