(3S)-1-(phenylmethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-1-ium-3-amine

Systemtic Name: (3S)-1-(phenylmethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-1-ium-3-amine Openeye Name: (3S)-1-benzyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-1-ium-3-amine CAS Name: (3S)-1-(phenylmethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-3-pyrrolidin-1-iumamine IUPAC Name: (3S)-1-benzyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-1-ium-3-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-(2,4,5-trimethoxybenzyl)amine Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC2CC[NH+](C2)CC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CN[C@H]2CC[NH+](C2)CC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H28N2O3/c1-24-19-12-21(26-3)20(25-2)11-17(19)13-22-18-9-10-23(15-18)14-16-7-5-4-6-8-16/h4-8,11-12,18,22H,9-10,13-15H2,1-3H3/p+1/t18-/m0/s1