[(3S)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [(3S)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: (3-isopropoxyphenyl)-[(3S)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: [(3S)-1-(5-isoquinolinylmethyl)-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: (3-isopropoxyphenyl)-[(3S)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]methanone Formula: C25H29N2O2+ MolecularWeight: 389.50996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H28N2O2/c1-18(2)29-23-10-4-6-19(14-23)25(28)22-9-5-13-27(17-22)16-21-8-3-7-20-15-26-12-11-24(20)21/h3-4,6-8,10-12,14-15,18,22H,5,9,13,16-17H2,1-2H3/p+1/t22-/m0/s1