(3,4-diethoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3,4-diethoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (3,4-diethoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (3,4-diethoxyphenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3,4-diethoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3,4-diethoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OCC

InChI

InChI=1S/C20H25N3O3/c1-3-25-17-9-8-16(15-18(17)26-4-2)20(24)23-13-11-22(12-14-23)19-7-5-6-10-21-19/h5-10,15H,3-4,11-14H2,1-2H3/p+1