(3S)-1-(phenylmethyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)pyrrolidin-1-ium-3-amine

Systemtic Name: (3S)-1-(phenylmethyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)pyrrolidin-1-ium-3-amine Openeye Name: (3S)-1-benzyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)pyrrolidin-1-ium-3-amine CAS Name: (3S)-1-(phenylmethyl)-N-[3-(1-pyrrolidin-1-iumyl)propyl]-3-pyrrolidin-1-iumamine IUPAC Name: (3S)-1-benzyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)pyrrolidin-1-ium-3-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)amine Formula: C18H31N3+2 MolecularWeight: 289.45884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CCCN[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H29N3/c1-2-7-17(8-3-1)15-21-14-9-18(16-21)19-10-6-13-20-11-4-5-12-20/h1-3,7-8,18-19H,4-6,9-16H2/p+2/t18-/m0/s1