(3S)-1-(isoquinolin-5-ylmethyl)-N-methyl-N-(phenylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(isoquinolin-5-ylmethyl)-N-methyl-N-(phenylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-benzyl-1-(5-isoquinolylmethyl)-N-methyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-(5-isoquinolinylmethyl)-N-methyl-N-(phenylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-benzyl-1-(isoquinolin-5-ylmethyl)-N-methylpiperidin-1-ium-3-amine Traditional Name: benzyl-[(3S)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]-methyl-amine Formula: C23H28N3+ MolecularWeight: 346.48852

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CCC[NH+](C2)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CC1=CC=CC=C1)[C@H]2CCC[NH+](C2)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C23H27N3/c1-25(16-19-7-3-2-4-8-19)22-11-6-14-26(18-22)17-21-10-5-9-20-15-24-13-12-23(20)21/h2-5,7-10,12-13,15,22H,6,11,14,16-18H2,1H3/p+1/t22-/m0/s1