N-(isoquinolin-5-ylmethyl)-N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: N-(isoquinolin-5-ylmethyl)-N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: N-(5-isoquinolylmethyl)-N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: N-(5-isoquinolinylmethyl)-N-methyl-3-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: N-(isoquinolin-5-ylmethyl)-N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: N-(5-isoquinolylmethyl)-N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C20H28N3O+ MolecularWeight: 326.45582

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(=O)N(C)CC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(=O)N(C)CC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H27N3O/c1-16-5-4-11-23(14-16)12-9-20(24)22(2)15-18-7-3-6-17-13-21-10-8-19(17)18/h3,6-8,10,13,16H,4-5,9,11-12,14-15H2,1-2H3/p+1/t16-/m0/s1