1-[7-methyl-3-[(naphthalen-1-ylmethylamino)methyl]quinolin-1-ium-2-yl]piperidin-4-ol

Systemtic Name: 1-[7-methyl-3-[(naphthalen-1-ylmethylamino)methyl]quinolin-1-ium-2-yl]piperidin-4-ol Openeye Name: 1-[7-methyl-3-[(1-naphthylmethylamino)methyl]quinolin-1-ium-2-yl]piperidin-4-ol CAS Name: 1-[7-methyl-3-[(1-naphthalenylmethylamino)methyl]-2-quinolin-1-iumyl]-4-piperidinol IUPAC Name: 1-[7-methyl-3-[(naphthalen-1-ylmethylamino)methyl]quinolin-1-ium-2-yl]piperidin-4-ol Traditional Name: 1-[7-methyl-3-[(1-naphthylmethylamino)methyl]quinolin-1-ium-2-yl]piperidin-4-ol Formula: C27H30N3O+ MolecularWeight: 412.5466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)CNCC3=CC=CC4=CC=CC=C43)N5CCC(CC5)O

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)CNCC3=CC=CC4=CC=CC=C43)N5CCC(CC5)O

InChI

InChI=1S/C27H29N3O/c1-19-9-10-21-16-23(27(29-26(21)15-19)30-13-11-24(31)12-14-30)18-28-17-22-7-4-6-20-5-2-3-8-25(20)22/h2-10,15-16,24,28,31H,11-14,17-18H2,1H3/p+1