[(3S)-3-(4-methylpiperazin-4-ium-1-yl)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]methylazanium

Systemtic Name: [(3S)-3-(4-methylpiperazin-4-ium-1-yl)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]methylazanium Openeye Name: [(3S)-1-benzyl-3-(4-methylpiperazin-4-ium-1-yl)pyrrolidin-1-ium-3-yl]methylammonium CAS Name: [(3S)-3-(4-methyl-1-piperazin-4-iumyl)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]methylammonium IUPAC Name: [(3S)-1-benzyl-3-(4-methylpiperazin-4-ium-1-yl)pyrrolidin-1-ium-3-yl]methylazanium Traditional Name: [(3S)-1-benzyl-3-(4-methylpiperazin-4-ium-1-yl)pyrrolidin-1-ium-3-yl]methylammonium Formula: C17H31N4+3 MolecularWeight: 291.45484

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2(CC[NH+](C2)CC3=CC=CC=C3)C[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@]2(CC[NH+](C2)CC3=CC=CC=C3)C[NH3+]

InChI

InChI=1S/C17H28N4/c1-19-9-11-21(12-10-19)17(14-18)7-8-20(15-17)13-16-5-3-2-4-6-16/h2-6H,7-15,18H2,1H3/p+3/t17-/m0/s1