(3-methoxynaphthalen-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methoxynaphthalen-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-methoxy-2-naphthyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-methoxy-2-naphthalenyl)-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methoxynaphthalen-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-methoxy-2-naphthyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C22H23N3O2/c1-27-21-15-19-5-3-2-4-18(19)14-20(21)22(26)25-12-10-24(11-13-25)16-17-6-8-23-9-7-17/h2-9,14-15H,10-13,16H2,1H3/p+1