[4-methyl-1-oxidanylidene-1-[[1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]pentan-2-yl]azanium

Systemtic Name: [4-methyl-1-oxidanylidene-1-[[1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]pentan-2-yl]azanium Openeye Name: [1-[(1-benzylpyrrolidin-1-ium-3-yl)carbamoyl]-3-methyl-butyl]ammonium CAS Name: [4-methyl-1-oxo-1-[[1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]pentan-2-yl]ammonium IUPAC Name: [1-[(1-benzylpyrrolidin-1-ium-3-yl)amino]-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [1-[(1-benzylpyrrolidin-1-ium-3-yl)carbamoyl]-3-methyl-butyl]ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CC[NH+](C1)CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CC(C)CC(C(=O)NC1CC[NH+](C1)CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C17H27N3O/c1-13(2)10-16(18)17(21)19-15-8-9-20(12-15)11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,18H2,1-2H3,(H,19,21)/p+2