azepan-1-yl-[1-(7-chloranylquinolin-1-ium-4-yl)piperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(7-chloranylquinolin-1-ium-4-yl)piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(7-chloroquinolin-1-ium-4-yl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-(7-chloro-4-quinolin-1-iumyl)-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(7-chloroquinolin-1-ium-4-yl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(7-chloroquinolin-1-ium-4-yl)-4-piperidyl]methanone Formula: C21H27ClN3O+ MolecularWeight: 372.91158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

InChI

InChI=1S/C21H26ClN3O/c22-17-5-6-18-19(15-17)23-10-7-20(18)24-13-8-16(9-14-24)21(26)25-11-3-1-2-4-12-25/h5-7,10,15-16H,1-4,8-9,11-14H2/p+1