[4-methoxy-2-[1-(quinolin-8-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-methoxy-2-[1-(quinolin-8-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-methoxy-2-[1-(8-quinolylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-methoxy-2-[[1-(8-quinolinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-methoxy-2-[1-(quinolin-8-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-methoxy-2-[1-(8-quinolylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidino-methanone Formula: C27H32N3O3+ MolecularWeight: 446.56128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)CC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H31N3O3/c1-32-23-9-10-24(27(31)30-14-2-3-15-30)25(18-23)33-22-11-16-29(17-12-22)19-21-7-4-6-20-8-5-13-28-26(20)21/h4-10,13,18,22H,2-3,11-12,14-17,19H2,1H3/p+1