4-(cyclopropylmethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-(cyclopropylmethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-(cyclopropylmethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-(cyclopropylmethyl)-1-[[4-(1-pyrrolidinyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(cyclopropylmethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(cyclopropylmethyl)-1-(4-pyrrolidinobenzyl)-1,4-diazepan-1-ium-5-one Formula: C20H30N3O+ MolecularWeight: 328.4717

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C[NH+]3CCC(=O)N(CC3)CC4CC4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C[NH+]3CCC(=O)N(CC3)CC4CC4

InChI

InChI=1S/C20H29N3O/c24-20-9-12-21(13-14-23(20)16-18-3-4-18)15-17-5-7-19(8-6-17)22-10-1-2-11-22/h5-8,18H,1-4,9-16H2/p+1