(4-pyridin-1-ium-2-ylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone

Systemtic Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone Openeye Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone CAS Name: [4-(2-pyridin-1-iumyl)-1-piperazinyl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone Traditional Name: (4-pyridin-1-ium-2-ylpiperazino)-(3,4,5-triethoxyphenyl)methanone Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H29N3O4/c1-4-27-18-15-17(16-19(28-5-2)21(18)29-6-3)22(26)25-13-11-24(12-14-25)20-9-7-8-10-23-20/h7-10,15-16H,4-6,11-14H2,1-3H3/p+1