(3-methoxy-4-phenylmethoxy-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-methoxy-4-phenylmethoxy-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (4-benzyloxy-3-methoxy-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (3-methoxy-4-phenylmethoxyphenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-methoxy-4-phenylmethoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4-benzoxy-3-methoxy-phenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3/c1-29-22-17-20(10-11-21(22)30-18-19-7-3-2-4-8-19)24(28)27-15-13-26(14-16-27)23-9-5-6-12-25-23/h2-12,17H,13-16,18H2,1H3/p+1