1-[3-(azepan-1-ium-1-yl)propyl]-3-[(3S)-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]urea

Systemtic Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-[(3S)-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]urea Openeye Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-[(3S)-1-(3-methoxyphenyl)-5-oxo-pyrrolidin-3-yl]urea CAS Name: 1-[3-(1-azepan-1-iumyl)propyl]-3-[(3S)-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinyl]urea IUPAC Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea Traditional Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-[(3S)-5-keto-1-(3-methoxyphenyl)pyrrolidin-3-yl]urea Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC(CC2=O)NC(=O)NCCC[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)N2C[C@H](CC2=O)NC(=O)NCCC[NH+]3CCCCCC3

InChI

InChI=1S/C21H32N4O3/c1-28-19-9-6-8-18(15-19)25-16-17(14-20(25)26)23-21(27)22-10-7-13-24-11-4-2-3-5-12-24/h6,8-9,15,17H,2-5,7,10-14,16H2,1H3,(H2,22,23,27)/p+1/t17-/m0/s1