4-[3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propyl]aniline

Systemtic Name: 4-[3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propyl]aniline Openeye Name: 4-[3-(4-benzylpiperidin-1-ium-1-yl)propyl]aniline CAS Name: 4-[3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]aniline IUPAC Name: 4-[3-(4-benzylpiperidin-1-ium-1-yl)propyl]aniline Traditional Name: [4-[3-(4-benzylpiperidin-1-ium-1-yl)propyl]phenyl]amine Formula: C21H29N2+ MolecularWeight: 309.46836

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CCCC3=CC=C(C=C3)N

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CCCC3=CC=C(C=C3)N

InChI

InChI=1S/C21H28N2/c22-21-10-8-18(9-11-21)7-4-14-23-15-12-20(13-16-23)17-19-5-2-1-3-6-19/h1-3,5-6,8-11,20H,4,7,12-17,22H2/p+1