3-[(3S)-3-(azaniumylmethyl)pyrrolidin-1-yl]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(3S)-3-(azaniumylmethyl)pyrrolidin-1-yl]propyl-methyl-(phenylmethyl)azanium Openeye Name: 3-[(3S)-3-(azaniumylmethyl)pyrrolidin-1-yl]propyl-benzyl-methyl-ammonium CAS Name: 3-[(3S)-3-(ammoniomethyl)-1-pyrrolidinyl]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: 3-[(3S)-3-(azaniumylmethyl)pyrrolidin-1-yl]propyl-benzyl-methylazanium Traditional Name: 3-[(3S)-3-(ammoniomethyl)pyrrolidino]propyl-benzyl-methyl-ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCN1CCC(C1)C[NH3+])CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCN1CC[C@H](C1)C[NH3+])CC2=CC=CC=C2

InChI

InChI=1S/C16H27N3/c1-18(13-15-6-3-2-4-7-15)9-5-10-19-11-8-16(12-17)14-19/h2-4,6-7,16H,5,8-14,17H2,1H3/p+2/t16-/m0/s1