1-[(3S)-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea

Systemtic Name: 1-[(3S)-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea Openeye Name: 1-[(3S)-1-(3-methoxyphenyl)-5-oxo-pyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea CAS Name: 1-[(3S)-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-3-[3-(1-piperidin-1-iumyl)propyl]urea IUPAC Name: 1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea Traditional Name: 1-[(3S)-5-keto-1-(3-methoxyphenyl)pyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC(CC2=O)NC(=O)NCCC[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)N2C[C@H](CC2=O)NC(=O)NCCC[NH+]3CCCCC3

InChI

InChI=1S/C20H30N4O3/c1-27-18-8-5-7-17(14-18)24-15-16(13-19(24)25)22-20(26)21-9-6-12-23-10-3-2-4-11-23/h5,7-8,14,16H,2-4,6,9-13,15H2,1H3,(H2,21,22,26)/p+1/t16-/m0/s1