N-(2-methoxy-5,6-dimethyl-pyridin-3-yl)-4-(2-methoxyphenyl)-1-(phenylmethyl)piperazin-1-ium-1-carboxamide

Systemtic Name: N-(2-methoxy-5,6-dimethyl-pyridin-3-yl)-4-(2-methoxyphenyl)-1-(phenylmethyl)piperazin-1-ium-1-carboxamide Openeye Name: 1-benzyl-N-(2-methoxy-5,6-dimethyl-3-pyridyl)-4-(2-methoxyphenyl)piperazin-1-ium-1-carboxamide CAS Name: N-(2-methoxy-5,6-dimethyl-3-pyridinyl)-4-(2-methoxyphenyl)-1-(phenylmethyl)-1-piperazin-1-iumcarboxamide IUPAC Name: 1-benzyl-N-(2-methoxy-5,6-dimethylpyridin-3-yl)-4-(2-methoxyphenyl)piperazin-1-ium-1-carboxamide Traditional Name: 1-benzyl-N-(2-methoxy-5,6-dimethyl-3-pyridyl)-4-(2-methoxyphenyl)piperazin-1-ium-1-carboxamide Formula: C27H33N4O3+ MolecularWeight: 461.57592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1C)OC)NC(=O)[N+]2(CCN(CC2)C3=CC=CC=C3OC)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N=C1C)OC)NC(=O)[N+]2(CCN(CC2)C3=CC=CC=C3OC)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3/c1-20-18-23(26(34-4)28-21(20)2)29-27(32)31(19-22-10-6-5-7-11-22)16-14-30(15-17-31)24-12-8-9-13-25(24)33-3/h5-13,18H,14-17,19H2,1-4H3/p+1