5-chloranyl-7-[[4-(phenylmethyl)piperidin-1-ium-1-yl]-pyridin-1-ium-2-yl-methyl]quinolin-1-ium-8-ol

Systemtic Name: 5-chloranyl-7-[[4-(phenylmethyl)piperidin-1-ium-1-yl]-pyridin-1-ium-2-yl-methyl]quinolin-1-ium-8-ol Openeye Name: 7-[(4-benzylpiperidin-1-ium-1-yl)-pyridin-1-ium-2-yl-methyl]-5-chloro-quinolin-1-ium-8-ol CAS Name: 5-chloro-7-[[4-(phenylmethyl)-1-piperidin-1-iumyl]-(2-pyridin-1-iumyl)methyl]-8-quinolin-1-iumol IUPAC Name: 7-[(4-benzylpiperidin-1-ium-1-yl)-pyridin-1-ium-2-ylmethyl]-5-chloroquinolin-1-ium-8-ol Traditional Name: 7-[(4-benzylpiperidin-1-ium-1-yl)-pyridin-1-ium-2-yl-methyl]-5-chloro-quinolin-1-ium-8-ol Formula: C27H29ClN3O+3 MolecularWeight: 446.99166

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)C(C3=CC=CC=[NH+]3)C4=CC(=C5C=CC=[NH+]C5=C4O)Cl

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)C(C3=CC=CC=[NH+]3)C4=CC(=C5C=CC=[NH+]C5=C4O)Cl

InChI

InChI=1S/C27H26ClN3O/c28-23-18-22(27(32)25-21(23)9-6-14-30-25)26(24-10-4-5-13-29-24)31-15-11-20(12-16-31)17-19-7-2-1-3-8-19/h1-10,13-14,18,20,26,32H,11-12,15-17H2/p+3