4-methyl-2-phenethyl-8-[(4-pyrrolidin-1-ylphenyl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione

Systemtic Name: 4-methyl-2-phenethyl-8-[(4-pyrrolidin-1-ylphenyl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 4-methyl-2-phenethyl-8-[(4-pyrrolidin-1-ylphenyl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 4-methyl-2-phenethyl-8-[[4-(1-pyrrolidinyl)phenyl]methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 4-methyl-2-phenethyl-8-[(4-pyrrolidin-1-ylphenyl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 4-methyl-2-phenethyl-8-(4-pyrrolidinobenzyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(C(=O)C12CC[NH+](CC2)CC3=CC=C(C=C3)N4CCCC4)CCC5=CC=CC=C5

Isomeric SMILES

CN1C(=O)N(C(=O)C12CC[NH+](CC2)CC3=CC=C(C=C3)N4CCCC4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H34N4O2/c1-28-26(33)31(18-13-22-7-3-2-4-8-22)25(32)27(28)14-19-29(20-15-27)21-23-9-11-24(12-10-23)30-16-5-6-17-30/h2-4,7-12H,5-6,13-21H2,1H3/p+1