2-[(4-chloranylphenoxy)methyl]-1-(2-piperidin-1-ylethyl)-1-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-1-ium

Systemtic Name: 2-[(4-chloranylphenoxy)methyl]-1-(2-piperidin-1-ylethyl)-1-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-1-ium Openeye Name: 2-[(4-chlorophenoxy)methyl]-1-[2-(1-piperidyl)ethyl]-1-[[4-(1-piperidyl)-1-piperidyl]methyl]indol-1-ium CAS Name: 2-[(4-chlorophenoxy)methyl]-1-[2-(1-piperidinyl)ethyl]-1-[[4-(1-piperidinyl)-1-piperidinyl]methyl]indol-1-ium IUPAC Name: 2-[(4-chlorophenoxy)methyl]-1-(2-piperidin-1-ylethyl)-1-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-1-ium Traditional Name: 2-[(4-chlorophenoxy)methyl]-1-(2-piperidinoethyl)-1-[(4-piperidinopiperidino)methyl]indol-1-ium Formula: C33H46ClN4O+ MolecularWeight: 550.19754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC[N+]2(C3=CC=CC=C3C=C2COC4=CC=C(C=C4)Cl)CN5CCC(CC5)N6CCCCC6

Isomeric SMILES

C1CCN(CC1)CC[N+]2(C3=CC=CC=C3C=C2COC4=CC=C(C=C4)Cl)CN5CCC(CC5)N6CCCCC6

InChI

InChI=1S/C33H46ClN4O/c34-29-11-13-32(14-12-29)39-26-31-25-28-9-3-4-10-33(28)38(31,24-23-35-17-5-1-6-18-35)27-36-21-15-30(16-22-36)37-19-7-2-8-20-37/h3-4,9-14,25,30H,1-2,5-8,15-24,26-27H2/q+1