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

Systemtic Name: (3-methoxynaphthalen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (3-methoxy-2-naphthyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (3-methoxy-2-naphthalenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-methoxynaphthalen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3-methoxy-2-naphthyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H21N3O2/c1-26-19-15-17-7-3-2-6-16(17)14-18(19)21(25)24-12-10-23(11-13-24)20-8-4-5-9-22-20/h2-9,14-15H,10-13H2,1H3/p+1