(4-methoxynaphthalen-1-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methoxynaphthalen-1-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-methoxy-1-naphthyl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-methoxy-1-naphthalenyl)-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methoxynaphthalen-1-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-methoxy-1-naphthyl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Formula: C22H31N3O2+2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC[NH+]4CCCC4

InChI

InChI=1S/C22H29N3O2/c1-27-21-9-8-20(18-6-2-3-7-19(18)21)22(26)25-16-14-24(15-17-25)13-12-23-10-4-5-11-23/h2-3,6-9H,4-5,10-17H2,1H3/p+2